USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 CYS SG : rot -166:sc= 0.576 USER MOD Set 1.2: A 51 TYR OH : rot -33:sc= 0.939 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.603 USER MOD Single : A 29 HIS : no HD1:sc=-0.00794 X(o=-0.0079,f=-0.16) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 35 GLN : amide:sc= 0.263 K(o=0.26,f=-4.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0.761 K(o=0.76,f=-7.2!) USER MOD Single : A 41 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.546 F(o=-1.8,f=-0.55) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0.084 (180deg=0.0611) USER MOD Single : A 65 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 99 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.93) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= 0.0471 X(o=0.047,f=-0.25) USER MOD Single : A 108 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.5!) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -5.54! C(o=-6.1!,f=-5.5!) USER MOD Single : A 111 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= -0.016 (180deg=-0.226) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -177:sc= -1.21 (180deg=-1.26) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.489 -3.718 6.487 1.00 0.00 N ATOM 141 CA VAL A 13 -59.323 -2.305 6.784 1.00 0.00 C ATOM 142 C VAL A 13 -59.847 -2.020 8.193 1.00 0.00 C ATOM 143 O VAL A 13 -60.802 -2.652 8.643 1.00 0.00 O ATOM 144 CB VAL A 13 -60.008 -1.460 5.709 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.314 -0.054 6.229 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.161 -1.401 4.436 1.00 0.00 C ATOM 0 HA VAL A 13 -58.268 -2.033 6.768 1.00 0.00 H new ATOM 0 HB VAL A 13 -60.955 -1.939 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.801 0.526 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.974 -0.122 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.385 0.437 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.671 -0.794 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.192 -0.957 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -59.016 -2.409 4.048 1.00 0.00 H new ATOM 156 N GLU A 14 -59.201 -1.068 8.849 1.00 0.00 N ATOM 157 CA GLU A 14 -59.590 -0.692 10.198 1.00 0.00 C ATOM 158 C GLU A 14 -59.968 0.790 10.247 1.00 0.00 C ATOM 159 O GLU A 14 -59.264 1.632 9.691 1.00 0.00 O ATOM 160 CB GLU A 14 -58.476 -1.007 11.198 1.00 0.00 C ATOM 161 CG GLU A 14 -58.148 -2.502 11.200 1.00 0.00 C ATOM 162 CD GLU A 14 -56.647 -2.734 11.013 1.00 0.00 C ATOM 163 OE1 GLU A 14 -55.874 -1.982 11.645 1.00 0.00 O ATOM 164 OE2 GLU A 14 -56.308 -3.657 10.242 1.00 0.00 O ATOM 0 H GLU A 14 -58.411 -0.545 8.472 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.463 -1.280 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.583 -0.435 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -58.781 -0.696 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -58.474 -2.948 12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -58.699 -3.000 10.402 1.00 0.00 H new ATOM 171 N ILE A 15 -61.077 1.063 10.917 1.00 0.00 N ATOM 172 CA ILE A 15 -61.557 2.429 11.046 1.00 0.00 C ATOM 173 C ILE A 15 -60.837 3.109 12.212 1.00 0.00 C ATOM 174 O ILE A 15 -60.447 2.451 13.175 1.00 0.00 O ATOM 175 CB ILE A 15 -63.082 2.452 11.167 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.726 1.492 10.165 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.621 3.876 11.024 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.420 1.914 8.727 1.00 0.00 C ATOM 0 H ILE A 15 -61.658 0.362 11.377 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.323 3.002 10.148 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.351 2.104 12.164 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.358 0.480 10.337 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.805 1.469 10.319 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.707 3.865 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.199 4.505 11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.342 4.274 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -63.889 1.215 8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.811 2.916 8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.342 1.912 8.569 1.00 0.00 H new ATOM 190 N GLY A 16 -60.683 4.419 12.087 1.00 0.00 N ATOM 191 CA GLY A 16 -60.017 5.196 13.119 1.00 0.00 C ATOM 192 C GLY A 16 -58.524 5.343 12.817 1.00 0.00 C ATOM 193 O GLY A 16 -57.868 6.245 13.335 1.00 0.00 O ATOM 0 H GLY A 16 -61.008 4.962 11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.476 6.182 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.150 4.712 14.087 1.00 0.00 H new ATOM 197 N GLU A 17 -58.031 4.441 11.981 1.00 0.00 N ATOM 198 CA GLU A 17 -56.628 4.459 11.604 1.00 0.00 C ATOM 199 C GLU A 17 -56.445 5.188 10.271 1.00 0.00 C ATOM 200 O GLU A 17 -57.409 5.397 9.537 1.00 0.00 O ATOM 201 CB GLU A 17 -56.061 3.039 11.535 1.00 0.00 C ATOM 202 CG GLU A 17 -55.624 2.555 12.919 1.00 0.00 C ATOM 203 CD GLU A 17 -56.459 1.354 13.368 1.00 0.00 C ATOM 204 OE1 GLU A 17 -56.083 0.226 12.982 1.00 0.00 O ATOM 205 OE2 GLU A 17 -57.454 1.591 14.086 1.00 0.00 O ATOM 0 H GLU A 17 -58.578 3.693 11.554 1.00 0.00 H new ATOM 0 HA GLU A 17 -56.073 5.000 12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -56.814 2.362 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -55.211 3.016 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.569 2.281 12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -55.728 3.365 13.641 1.00 0.00 H new ATOM 212 N THR A 18 -55.201 5.555 10.000 1.00 0.00 N ATOM 213 CA THR A 18 -54.879 6.256 8.769 1.00 0.00 C ATOM 214 C THR A 18 -54.163 5.320 7.793 1.00 0.00 C ATOM 215 O THR A 18 -53.346 4.497 8.203 1.00 0.00 O ATOM 216 CB THR A 18 -54.061 7.497 9.131 1.00 0.00 C ATOM 217 OG1 THR A 18 -54.860 8.168 10.101 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.964 8.493 7.974 1.00 0.00 C ATOM 0 H THR A 18 -54.404 5.380 10.612 1.00 0.00 H new ATOM 0 HA THR A 18 -55.782 6.583 8.253 1.00 0.00 H new ATOM 0 HB THR A 18 -53.058 7.195 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.403 8.985 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.373 9.355 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.485 8.013 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.964 8.822 7.692 1.00 0.00 H new ATOM 226 N TYR A 19 -54.496 5.477 6.520 1.00 0.00 N ATOM 227 CA TYR A 19 -53.895 4.656 5.483 1.00 0.00 C ATOM 228 C TYR A 19 -53.468 5.509 4.287 1.00 0.00 C ATOM 229 O TYR A 19 -53.939 6.633 4.123 1.00 0.00 O ATOM 230 CB TYR A 19 -54.984 3.679 5.035 1.00 0.00 C ATOM 231 CG TYR A 19 -55.402 2.676 6.112 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.044 3.115 7.252 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.137 1.332 5.944 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.438 2.171 8.266 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.530 0.388 6.958 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.161 0.855 8.069 1.00 0.00 C ATOM 237 OH TYR A 19 -56.533 -0.037 9.026 1.00 0.00 O ATOM 0 H TYR A 19 -55.174 6.161 6.184 1.00 0.00 H new ATOM 0 HA TYR A 19 -53.008 4.148 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.860 4.247 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.630 3.132 4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.251 4.167 7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.635 0.988 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -56.942 2.501 9.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.328 -0.666 6.839 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.272 -0.940 8.750 1.00 0.00 H new ATOM 247 N LEU A 20 -52.582 4.941 3.482 1.00 0.00 N ATOM 248 CA LEU A 20 -52.087 5.636 2.306 1.00 0.00 C ATOM 249 C LEU A 20 -53.081 5.457 1.157 1.00 0.00 C ATOM 250 O LEU A 20 -53.302 4.341 0.690 1.00 0.00 O ATOM 251 CB LEU A 20 -50.668 5.173 1.968 1.00 0.00 C ATOM 252 CG LEU A 20 -49.643 5.271 3.101 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.545 6.703 3.629 1.00 0.00 C ATOM 254 CD2 LEU A 20 -49.960 4.269 4.214 1.00 0.00 C ATOM 0 H LEU A 20 -52.194 4.008 3.621 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.012 6.706 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.715 4.136 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.306 5.762 1.125 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.664 5.009 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.810 6.745 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.238 7.368 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.517 7.018 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.217 4.359 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.950 4.477 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -49.938 3.257 3.810 1.00 0.00 H new ATOM 266 N CYS A 21 -53.655 6.574 0.734 1.00 0.00 N ATOM 267 CA CYS A 21 -54.620 6.555 -0.351 1.00 0.00 C ATOM 268 C CYS A 21 -53.922 7.037 -1.624 1.00 0.00 C ATOM 269 O CYS A 21 -53.335 8.117 -1.644 1.00 0.00 O ATOM 270 CB CYS A 21 -55.855 7.397 -0.025 1.00 0.00 C ATOM 271 SG CYS A 21 -56.962 7.476 -1.480 1.00 0.00 S ATOM 0 H CYS A 21 -53.470 7.498 1.124 1.00 0.00 H new ATOM 0 HA CYS A 21 -54.983 5.538 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.386 6.965 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.553 8.403 0.267 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.844 8.414 -1.304 1.00 0.00 H new ATOM 277 N ARG A 22 -54.008 6.211 -2.657 1.00 0.00 N ATOM 278 CA ARG A 22 -53.392 6.539 -3.931 1.00 0.00 C ATOM 279 C ARG A 22 -54.031 7.798 -4.522 1.00 0.00 C ATOM 280 O ARG A 22 -55.255 7.900 -4.596 1.00 0.00 O ATOM 281 CB ARG A 22 -53.537 5.386 -4.927 1.00 0.00 C ATOM 282 CG ARG A 22 -52.387 5.385 -5.936 1.00 0.00 C ATOM 283 CD ARG A 22 -51.864 3.966 -6.170 1.00 0.00 C ATOM 284 NE ARG A 22 -51.436 3.810 -7.578 1.00 0.00 N ATOM 285 CZ ARG A 22 -50.605 2.851 -8.008 1.00 0.00 C ATOM 286 NH1 ARG A 22 -50.108 1.957 -7.143 1.00 0.00 N ATOM 287 NH2 ARG A 22 -50.271 2.787 -9.304 1.00 0.00 N ATOM 0 H ARG A 22 -54.495 5.315 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.332 6.716 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -53.555 4.437 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.487 5.473 -5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -52.726 5.812 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.579 6.019 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.027 3.763 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -52.642 3.240 -5.935 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.796 4.474 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -50.362 2.006 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -49.475 1.227 -7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -50.649 3.468 -9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -49.638 2.057 -9.632 1.00 0.00 H new ATOM 376 N TRP A 28 -48.556 8.754 -2.952 1.00 0.00 N ATOM 377 CA TRP A 28 -49.608 8.372 -2.026 1.00 0.00 C ATOM 378 C TRP A 28 -49.809 9.523 -1.038 1.00 0.00 C ATOM 379 O TRP A 28 -48.890 10.304 -0.794 1.00 0.00 O ATOM 380 CB TRP A 28 -49.279 7.045 -1.340 1.00 0.00 C ATOM 381 CG TRP A 28 -49.278 5.840 -2.283 1.00 0.00 C ATOM 382 CD1 TRP A 28 -48.527 5.650 -3.377 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.100 4.659 -2.171 1.00 0.00 C ATOM 384 NE1 TRP A 28 -48.804 4.437 -3.975 1.00 0.00 N ATOM 385 CE2 TRP A 28 -49.791 3.816 -3.219 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.072 4.315 -1.216 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -50.409 2.575 -3.411 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.681 3.071 -1.422 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.381 2.211 -2.472 1.00 0.00 C ATOM 0 HA TRP A 28 -50.545 8.201 -2.556 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.300 7.125 -0.868 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -50.003 6.870 -0.544 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -47.797 6.357 -3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -48.365 4.065 -4.817 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.329 4.959 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -50.150 1.933 -4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.436 2.758 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -51.896 1.266 -2.563 1.00 0.00 H new ATOM 400 N HIS A 29 -51.015 9.590 -0.495 1.00 0.00 N ATOM 401 CA HIS A 29 -51.348 10.632 0.462 1.00 0.00 C ATOM 402 C HIS A 29 -52.122 10.025 1.633 1.00 0.00 C ATOM 403 O HIS A 29 -53.066 9.263 1.430 1.00 0.00 O ATOM 404 CB HIS A 29 -52.103 11.775 -0.220 1.00 0.00 C ATOM 405 CG HIS A 29 -51.213 12.744 -0.960 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.196 13.451 -0.342 1.00 0.00 N ATOM 407 CD2 HIS A 29 -51.197 13.115 -2.273 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.602 14.210 -1.251 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.225 14.002 -2.446 1.00 0.00 N ATOM 0 H HIS A 29 -51.774 8.940 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.433 11.068 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.825 11.353 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.671 12.322 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -51.862 12.749 -3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -48.770 14.876 -1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -49.984 14.454 -3.328 1.00 0.00 H new ATOM 417 N SER A 30 -51.694 10.386 2.834 1.00 0.00 N ATOM 418 CA SER A 30 -52.336 9.886 4.039 1.00 0.00 C ATOM 419 C SER A 30 -53.812 10.290 4.051 1.00 0.00 C ATOM 420 O SER A 30 -54.173 11.350 3.544 1.00 0.00 O ATOM 421 CB SER A 30 -51.633 10.406 5.294 1.00 0.00 C ATOM 422 OG SER A 30 -51.202 11.757 5.144 1.00 0.00 O ATOM 0 H SER A 30 -50.911 11.018 2.999 1.00 0.00 H new ATOM 0 HA SER A 30 -52.263 8.798 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.310 10.334 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.773 9.774 5.516 1.00 0.00 H new ATOM 0 HG SER A 30 -50.760 12.053 5.967 1.00 0.00 H new ATOM 428 N ALA A 31 -54.624 9.422 4.637 1.00 0.00 N ATOM 429 CA ALA A 31 -56.052 9.675 4.722 1.00 0.00 C ATOM 430 C ALA A 31 -56.657 8.794 5.818 1.00 0.00 C ATOM 431 O ALA A 31 -56.530 7.571 5.777 1.00 0.00 O ATOM 432 CB ALA A 31 -56.697 9.431 3.356 1.00 0.00 C ATOM 0 H ALA A 31 -54.320 8.544 5.057 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.242 10.714 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.768 9.621 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.253 10.101 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.529 8.397 3.054 1.00 0.00 H new ATOM 438 N GLU A 32 -57.302 9.451 6.771 1.00 0.00 N ATOM 439 CA GLU A 32 -57.927 8.743 7.876 1.00 0.00 C ATOM 440 C GLU A 32 -59.218 8.067 7.410 1.00 0.00 C ATOM 441 O GLU A 32 -60.013 8.668 6.690 1.00 0.00 O ATOM 442 CB GLU A 32 -58.194 9.686 9.050 1.00 0.00 C ATOM 443 CG GLU A 32 -59.314 10.673 8.717 1.00 0.00 C ATOM 444 CD GLU A 32 -59.850 11.343 9.983 1.00 0.00 C ATOM 445 OE1 GLU A 32 -60.068 10.604 10.967 1.00 0.00 O ATOM 446 OE2 GLU A 32 -60.028 12.580 9.939 1.00 0.00 O ATOM 0 H GLU A 32 -57.405 10.465 6.801 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.240 7.971 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.466 9.106 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.284 10.233 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.942 11.432 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.124 10.151 8.207 1.00 0.00 H new ATOM 453 N VAL A 33 -59.386 6.825 7.840 1.00 0.00 N ATOM 454 CA VAL A 33 -60.567 6.061 7.477 1.00 0.00 C ATOM 455 C VAL A 33 -61.714 6.422 8.423 1.00 0.00 C ATOM 456 O VAL A 33 -61.719 6.013 9.583 1.00 0.00 O ATOM 457 CB VAL A 33 -60.243 4.565 7.474 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.481 3.736 7.127 1.00 0.00 C ATOM 459 CG2 VAL A 33 -59.090 4.256 6.517 1.00 0.00 C ATOM 0 H VAL A 33 -58.724 6.329 8.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.888 6.312 6.466 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.927 4.289 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.223 2.677 7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.262 3.922 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.841 4.017 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.880 3.187 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.366 4.556 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.202 4.805 6.828 1.00 0.00 H new ATOM 469 N ILE A 34 -62.659 7.183 7.892 1.00 0.00 N ATOM 470 CA ILE A 34 -63.809 7.604 8.675 1.00 0.00 C ATOM 471 C ILE A 34 -64.654 6.379 9.032 1.00 0.00 C ATOM 472 O ILE A 34 -64.859 6.083 10.208 1.00 0.00 O ATOM 473 CB ILE A 34 -64.589 8.695 7.939 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.653 9.804 7.453 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.722 9.242 8.809 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.650 10.984 8.426 1.00 0.00 C ATOM 0 H ILE A 34 -62.652 7.519 6.929 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.486 8.054 9.614 1.00 0.00 H new ATOM 0 HB ILE A 34 -65.048 8.250 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.642 9.411 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.967 10.143 6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.260 10.016 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.408 8.434 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.307 9.666 9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.977 11.758 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.658 11.389 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.313 10.647 9.406 1.00 0.00 H new ATOM 488 N GLN A 35 -65.120 5.699 7.994 1.00 0.00 N ATOM 489 CA GLN A 35 -65.938 4.513 8.183 1.00 0.00 C ATOM 490 C GLN A 35 -65.782 3.566 6.992 1.00 0.00 C ATOM 491 O GLN A 35 -64.935 3.784 6.127 1.00 0.00 O ATOM 492 CB GLN A 35 -67.406 4.888 8.398 1.00 0.00 C ATOM 493 CG GLN A 35 -67.769 4.850 9.884 1.00 0.00 C ATOM 494 CD GLN A 35 -68.104 3.426 10.331 1.00 0.00 C ATOM 495 OE1 GLN A 35 -67.612 2.447 9.793 1.00 0.00 O ATOM 496 NE2 GLN A 35 -68.967 3.364 11.341 1.00 0.00 N ATOM 0 H GLN A 35 -64.947 5.947 7.020 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.594 3.997 9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.592 5.885 8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -68.046 4.200 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.938 5.234 10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.621 5.503 10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -69.341 4.222 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.255 2.458 11.711 1.00 0.00 H new ATOM 505 N SER A 36 -66.613 2.534 6.985 1.00 0.00 N ATOM 506 CA SER A 36 -66.578 1.553 5.914 1.00 0.00 C ATOM 507 C SER A 36 -68.003 1.197 5.484 1.00 0.00 C ATOM 508 O SER A 36 -68.950 1.385 6.245 1.00 0.00 O ATOM 509 CB SER A 36 -65.824 0.293 6.345 1.00 0.00 C ATOM 510 OG SER A 36 -66.439 -0.342 7.462 1.00 0.00 O ATOM 0 H SER A 36 -67.314 2.356 7.704 1.00 0.00 H new ATOM 0 HA SER A 36 -66.048 1.990 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 36 -65.780 -0.406 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 36 -64.796 0.554 6.597 1.00 0.00 H new ATOM 0 HG SER A 36 -65.929 -1.143 7.705 1.00 0.00 H new ATOM 516 N ARG A 37 -68.109 0.688 4.265 1.00 0.00 N ATOM 517 CA ARG A 37 -69.402 0.304 3.725 1.00 0.00 C ATOM 518 C ARG A 37 -69.220 -0.594 2.500 1.00 0.00 C ATOM 519 O ARG A 37 -68.113 -0.723 1.979 1.00 0.00 O ATOM 520 CB ARG A 37 -70.221 1.534 3.329 1.00 0.00 C ATOM 521 CG ARG A 37 -69.554 2.291 2.179 1.00 0.00 C ATOM 522 CD ARG A 37 -70.419 3.468 1.722 1.00 0.00 C ATOM 523 NE ARG A 37 -70.919 3.226 0.350 1.00 0.00 N ATOM 524 CZ ARG A 37 -71.506 4.159 -0.410 1.00 0.00 C ATOM 525 NH1 ARG A 37 -71.672 5.402 0.062 1.00 0.00 N ATOM 526 NH2 ARG A 37 -71.929 3.850 -1.644 1.00 0.00 N ATOM 0 H ARG A 37 -67.321 0.533 3.636 1.00 0.00 H new ATOM 0 HA ARG A 37 -69.938 -0.240 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.224 1.227 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.330 2.195 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.577 2.655 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.385 1.613 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -71.258 3.601 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.837 4.389 1.749 1.00 0.00 H new ATOM 0 HE ARG A 37 -70.810 2.290 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -71.351 5.638 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -72.119 6.112 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -71.804 2.904 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -72.376 4.561 -2.223 1.00 0.00 H new ATOM 540 N VAL A 38 -70.323 -1.192 2.075 1.00 0.00 N ATOM 541 CA VAL A 38 -70.299 -2.074 0.920 1.00 0.00 C ATOM 542 C VAL A 38 -71.423 -1.681 -0.041 1.00 0.00 C ATOM 543 O VAL A 38 -72.513 -1.309 0.392 1.00 0.00 O ATOM 544 CB VAL A 38 -70.385 -3.533 1.375 1.00 0.00 C ATOM 545 CG1 VAL A 38 -70.959 -4.419 0.268 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.018 -4.045 1.834 1.00 0.00 C ATOM 0 H VAL A 38 -71.239 -1.083 2.510 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.358 -1.970 0.379 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.064 -3.579 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.009 -5.450 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -71.960 -4.074 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.317 -4.364 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.107 -5.084 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.308 -3.977 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -68.664 -3.439 2.668 1.00 0.00 H new ATOM 556 N ASN A 39 -71.119 -1.776 -1.327 1.00 0.00 N ATOM 557 CA ASN A 39 -72.089 -1.435 -2.353 1.00 0.00 C ATOM 558 C ASN A 39 -72.775 -2.711 -2.845 1.00 0.00 C ATOM 559 O ASN A 39 -72.108 -3.682 -3.197 1.00 0.00 O ATOM 560 CB ASN A 39 -71.412 -0.770 -3.552 1.00 0.00 C ATOM 561 CG ASN A 39 -71.230 0.731 -3.317 1.00 0.00 C ATOM 562 OD1 ASN A 39 -71.363 1.233 -2.213 1.00 0.00 O ATOM 563 ND2 ASN A 39 -70.920 1.417 -4.413 1.00 0.00 N ATOM 0 H ASN A 39 -70.214 -2.085 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.811 -0.744 -1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.442 -1.234 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -72.011 -0.931 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -70.778 2.426 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -70.824 0.934 -5.306 1.00 0.00 H new ATOM 570 N ASP A 40 -74.099 -2.667 -2.853 1.00 0.00 N ATOM 571 CA ASP A 40 -74.883 -3.808 -3.295 1.00 0.00 C ATOM 572 C ASP A 40 -75.123 -3.702 -4.803 1.00 0.00 C ATOM 573 O ASP A 40 -74.933 -4.673 -5.535 1.00 0.00 O ATOM 574 CB ASP A 40 -76.246 -3.843 -2.601 1.00 0.00 C ATOM 575 CG ASP A 40 -76.617 -5.187 -1.971 1.00 0.00 C ATOM 576 OD1 ASP A 40 -75.718 -5.785 -1.341 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.790 -5.585 -2.134 1.00 0.00 O ATOM 0 H ASP A 40 -74.649 -1.859 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.329 -4.714 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.261 -3.078 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -77.014 -3.575 -3.327 1.00 0.00 H new ATOM 582 N GLN A 41 -75.536 -2.515 -5.222 1.00 0.00 N ATOM 583 CA GLN A 41 -75.803 -2.270 -6.629 1.00 0.00 C ATOM 584 C GLN A 41 -74.548 -2.536 -7.462 1.00 0.00 C ATOM 585 O GLN A 41 -74.613 -3.198 -8.496 1.00 0.00 O ATOM 586 CB GLN A 41 -76.317 -0.846 -6.850 1.00 0.00 C ATOM 587 CG GLN A 41 -77.704 -0.662 -6.232 1.00 0.00 C ATOM 588 CD GLN A 41 -78.777 -1.352 -7.077 1.00 0.00 C ATOM 589 OE1 GLN A 41 -78.721 -2.541 -7.347 1.00 0.00 O ATOM 590 NE2 GLN A 41 -79.754 -0.544 -7.476 1.00 0.00 N ATOM 0 H GLN A 41 -75.692 -1.713 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 41 -76.584 -2.957 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -75.621 -0.132 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -76.360 -0.633 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -77.713 -1.071 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -77.930 0.401 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -79.739 0.442 -7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -80.518 -0.910 -8.044 1.00 0.00 H new ATOM 599 N GLU A 42 -73.434 -2.004 -6.981 1.00 0.00 N ATOM 600 CA GLU A 42 -72.165 -2.175 -7.668 1.00 0.00 C ATOM 601 C GLU A 42 -71.526 -3.510 -7.279 1.00 0.00 C ATOM 602 O GLU A 42 -70.998 -4.221 -8.132 1.00 0.00 O ATOM 603 CB GLU A 42 -71.220 -1.008 -7.373 1.00 0.00 C ATOM 604 CG GLU A 42 -71.463 0.152 -8.341 1.00 0.00 C ATOM 605 CD GLU A 42 -70.653 -0.029 -9.627 1.00 0.00 C ATOM 606 OE1 GLU A 42 -70.928 -1.021 -10.336 1.00 0.00 O ATOM 607 OE2 GLU A 42 -69.778 0.829 -9.872 1.00 0.00 O ATOM 0 H GLU A 42 -73.384 -1.454 -6.123 1.00 0.00 H new ATOM 0 HA GLU A 42 -72.354 -2.184 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -71.366 -0.668 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -70.186 -1.343 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -72.524 0.214 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -71.189 1.093 -7.863 1.00 0.00 H new ATOM 614 N GLY A 43 -71.596 -3.809 -5.990 1.00 0.00 N ATOM 615 CA GLY A 43 -71.030 -5.046 -5.478 1.00 0.00 C ATOM 616 C GLY A 43 -69.529 -4.898 -5.223 1.00 0.00 C ATOM 617 O GLY A 43 -68.736 -5.724 -5.671 1.00 0.00 O ATOM 0 H GLY A 43 -72.036 -3.217 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.534 -5.325 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -71.204 -5.852 -6.191 1.00 0.00 H new ATOM 621 N ARG A 44 -69.185 -3.840 -4.504 1.00 0.00 N ATOM 622 CA ARG A 44 -67.793 -3.574 -4.183 1.00 0.00 C ATOM 623 C ARG A 44 -67.680 -2.934 -2.798 1.00 0.00 C ATOM 624 O ARG A 44 -68.691 -2.637 -2.163 1.00 0.00 O ATOM 625 CB ARG A 44 -67.157 -2.645 -5.220 1.00 0.00 C ATOM 626 CG ARG A 44 -67.216 -3.263 -6.619 1.00 0.00 C ATOM 627 CD ARG A 44 -66.032 -2.805 -7.471 1.00 0.00 C ATOM 628 NE ARG A 44 -65.885 -3.687 -8.650 1.00 0.00 N ATOM 629 CZ ARG A 44 -66.688 -3.648 -9.722 1.00 0.00 C ATOM 630 NH1 ARG A 44 -67.700 -2.770 -9.770 1.00 0.00 N ATOM 631 NH2 ARG A 44 -66.481 -4.487 -10.746 1.00 0.00 N ATOM 0 H ARG A 44 -69.846 -3.157 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.263 -4.526 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -67.675 -1.686 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -66.120 -2.448 -4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -67.213 -4.350 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -68.150 -2.981 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -66.183 -1.775 -7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -65.118 -2.822 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 44 -65.125 -4.367 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -67.859 -2.132 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -68.311 -2.740 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -65.712 -5.156 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -67.093 -4.457 -11.562 1.00 0.00 H new ATOM 645 N GLU A 45 -66.441 -2.739 -2.371 1.00 0.00 N ATOM 646 CA GLU A 45 -66.183 -2.140 -1.073 1.00 0.00 C ATOM 647 C GLU A 45 -65.745 -0.683 -1.238 1.00 0.00 C ATOM 648 O GLU A 45 -65.206 -0.308 -2.278 1.00 0.00 O ATOM 649 CB GLU A 45 -65.137 -2.942 -0.296 1.00 0.00 C ATOM 650 CG GLU A 45 -65.581 -4.395 -0.119 1.00 0.00 C ATOM 651 CD GLU A 45 -64.409 -5.356 -0.327 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.119 -5.651 -1.507 1.00 0.00 O ATOM 653 OE2 GLU A 45 -63.829 -5.775 0.698 1.00 0.00 O ATOM 0 H GLU A 45 -65.605 -2.985 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.108 -2.158 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.184 -2.911 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -64.975 -2.486 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -65.996 -4.533 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.375 -4.625 -0.829 1.00 0.00 H new ATOM 660 N GLU A 46 -65.992 0.098 -0.197 1.00 0.00 N ATOM 661 CA GLU A 46 -65.629 1.505 -0.214 1.00 0.00 C ATOM 662 C GLU A 46 -65.415 2.015 1.212 1.00 0.00 C ATOM 663 O GLU A 46 -66.242 1.779 2.091 1.00 0.00 O ATOM 664 CB GLU A 46 -66.690 2.335 -0.940 1.00 0.00 C ATOM 665 CG GLU A 46 -66.158 2.856 -2.277 1.00 0.00 C ATOM 666 CD GLU A 46 -67.302 3.342 -3.170 1.00 0.00 C ATOM 667 OE1 GLU A 46 -67.882 4.394 -2.827 1.00 0.00 O ATOM 668 OE2 GLU A 46 -67.569 2.649 -4.176 1.00 0.00 O ATOM 0 H GLU A 46 -66.439 -0.217 0.664 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.693 1.613 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.579 1.727 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.993 3.174 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -65.458 3.672 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -65.605 2.066 -2.785 1.00 0.00 H new ATOM 675 N PHE A 47 -64.300 2.706 1.398 1.00 0.00 N ATOM 676 CA PHE A 47 -63.966 3.252 2.703 1.00 0.00 C ATOM 677 C PHE A 47 -63.840 4.775 2.644 1.00 0.00 C ATOM 678 O PHE A 47 -63.054 5.307 1.861 1.00 0.00 O ATOM 679 CB PHE A 47 -62.615 2.656 3.105 1.00 0.00 C ATOM 680 CG PHE A 47 -62.654 1.149 3.368 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.450 0.275 2.346 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.892 0.684 4.624 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.485 -1.124 2.591 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.927 -0.715 4.868 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.723 -1.589 3.846 1.00 0.00 C ATOM 0 H PHE A 47 -63.616 2.900 0.667 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.749 3.006 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.891 2.858 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.259 3.162 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.262 0.644 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -63.054 1.378 5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.322 -1.818 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -63.116 -1.085 5.865 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.750 -2.653 4.032 1.00 0.00 H new ATOM 695 N TYR A 48 -64.627 5.435 3.481 1.00 0.00 N ATOM 696 CA TYR A 48 -64.613 6.887 3.535 1.00 0.00 C ATOM 697 C TYR A 48 -63.343 7.399 4.217 1.00 0.00 C ATOM 698 O TYR A 48 -63.289 7.497 5.442 1.00 0.00 O ATOM 699 CB TYR A 48 -65.827 7.289 4.375 1.00 0.00 C ATOM 700 CG TYR A 48 -66.353 8.695 4.075 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.517 9.106 2.768 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.663 9.551 5.112 1.00 0.00 C ATOM 703 CE1 TYR A 48 -67.012 10.429 2.487 1.00 0.00 C ATOM 704 CE2 TYR A 48 -67.158 10.873 4.831 1.00 0.00 C ATOM 705 CZ TYR A 48 -67.308 11.247 3.532 1.00 0.00 C ATOM 706 OH TYR A 48 -67.775 12.496 3.266 1.00 0.00 O ATOM 0 H TYR A 48 -65.279 4.991 4.128 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.641 7.309 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.628 6.569 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.562 7.229 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -66.274 8.436 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.534 9.229 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -67.145 10.764 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.405 11.552 5.633 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.945 12.968 4.108 1.00 0.00 H new ATOM 716 N VAL A 49 -62.353 7.711 3.395 1.00 0.00 N ATOM 717 CA VAL A 49 -61.087 8.211 3.904 1.00 0.00 C ATOM 718 C VAL A 49 -61.084 9.739 3.840 1.00 0.00 C ATOM 719 O VAL A 49 -61.643 10.327 2.915 1.00 0.00 O ATOM 720 CB VAL A 49 -59.927 7.578 3.133 1.00 0.00 C ATOM 721 CG1 VAL A 49 -60.073 6.056 3.073 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.812 8.173 1.728 1.00 0.00 C ATOM 0 H VAL A 49 -62.401 7.627 2.380 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.958 7.930 4.949 1.00 0.00 H new ATOM 0 HB VAL A 49 -59.006 7.805 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.235 5.632 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -60.082 5.651 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -61.006 5.799 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.980 7.705 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.736 7.991 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.638 9.247 1.801 1.00 0.00 H new ATOM 732 N HIS A 50 -60.447 10.340 4.834 1.00 0.00 N ATOM 733 CA HIS A 50 -60.364 11.789 4.903 1.00 0.00 C ATOM 734 C HIS A 50 -58.912 12.229 4.711 1.00 0.00 C ATOM 735 O HIS A 50 -58.031 11.822 5.466 1.00 0.00 O ATOM 736 CB HIS A 50 -60.973 12.307 6.207 1.00 0.00 C ATOM 737 CG HIS A 50 -60.743 13.780 6.450 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.588 14.500 6.530 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.778 14.679 6.642 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.900 15.770 6.758 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -61.257 15.883 6.828 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.983 9.850 5.599 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.951 12.229 4.097 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -62.046 12.114 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.555 11.742 7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.831 14.440 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -59.195 16.580 6.870 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.779 16.743 6.994 1.00 0.00 H new ATOM 749 N TYR A 51 -58.707 13.055 3.695 1.00 0.00 N ATOM 750 CA TYR A 51 -57.376 13.555 3.394 1.00 0.00 C ATOM 751 C TYR A 51 -57.018 14.739 4.295 1.00 0.00 C ATOM 752 O TYR A 51 -57.408 15.873 4.020 1.00 0.00 O ATOM 753 CB TYR A 51 -57.423 14.031 1.941 1.00 0.00 C ATOM 754 CG TYR A 51 -57.695 12.916 0.929 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.673 12.074 0.540 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.961 12.752 0.406 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.928 11.024 -0.412 1.00 0.00 C ATOM 758 CE2 TYR A 51 -59.216 11.703 -0.546 1.00 0.00 C ATOM 759 CZ TYR A 51 -58.188 10.890 -0.908 1.00 0.00 C ATOM 760 OH TYR A 51 -58.429 9.899 -1.807 1.00 0.00 O ATOM 0 H TYR A 51 -59.440 13.390 3.070 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.629 12.778 3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -58.197 14.792 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.474 14.508 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.682 12.203 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.761 13.411 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -56.137 10.358 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -60.202 11.565 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 51 -57.631 9.755 -2.357 1.00 0.00 H new ATOM 770 N VAL A 52 -56.280 14.435 5.353 1.00 0.00 N ATOM 771 CA VAL A 52 -55.866 15.460 6.295 1.00 0.00 C ATOM 772 C VAL A 52 -54.744 16.295 5.674 1.00 0.00 C ATOM 773 O VAL A 52 -53.604 15.843 5.588 1.00 0.00 O ATOM 774 CB VAL A 52 -55.466 14.817 7.625 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.599 13.949 8.176 1.00 0.00 C ATOM 776 CG2 VAL A 52 -54.176 14.008 7.477 1.00 0.00 C ATOM 0 H VAL A 52 -55.958 13.494 5.578 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.693 16.136 6.511 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.278 15.617 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -56.289 13.504 9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.484 14.565 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.832 13.159 7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.914 13.562 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.323 13.220 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.370 14.665 7.150 1.00 0.00 H new ATOM 906 N GLU A 60 -64.089 11.390 0.202 1.00 0.00 N ATOM 907 CA GLU A 60 -64.508 10.438 -0.812 1.00 0.00 C ATOM 908 C GLU A 60 -64.108 9.018 -0.404 1.00 0.00 C ATOM 909 O GLU A 60 -63.068 8.818 0.221 1.00 0.00 O ATOM 910 CB GLU A 60 -63.925 10.800 -2.179 1.00 0.00 C ATOM 911 CG GLU A 60 -62.398 10.709 -2.165 1.00 0.00 C ATOM 912 CD GLU A 60 -61.773 11.855 -2.963 1.00 0.00 C ATOM 913 OE1 GLU A 60 -62.274 12.990 -2.814 1.00 0.00 O ATOM 914 OE2 GLU A 60 -60.807 11.570 -3.705 1.00 0.00 O ATOM 0 HA GLU A 60 -65.594 10.480 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.326 10.129 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.230 11.810 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.038 10.738 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.083 9.754 -2.586 1.00 0.00 H new ATOM 921 N TRP A 61 -64.956 8.069 -0.774 1.00 0.00 N ATOM 922 CA TRP A 61 -64.704 6.674 -0.455 1.00 0.00 C ATOM 923 C TRP A 61 -63.602 6.167 -1.388 1.00 0.00 C ATOM 924 O TRP A 61 -63.402 6.713 -2.472 1.00 0.00 O ATOM 925 CB TRP A 61 -65.990 5.850 -0.545 1.00 0.00 C ATOM 926 CG TRP A 61 -67.181 6.473 0.187 1.00 0.00 C ATOM 927 CD1 TRP A 61 -67.933 7.513 -0.196 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.729 6.048 1.453 1.00 0.00 C ATOM 929 NE1 TRP A 61 -68.922 7.790 0.726 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.794 6.870 1.760 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.338 5.003 2.309 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.556 6.733 2.927 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.110 4.880 3.471 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.184 5.699 3.795 1.00 0.00 C ATOM 0 H TRP A 61 -65.818 8.239 -1.292 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.363 6.569 0.575 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.251 5.717 -1.595 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -65.803 4.858 -0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -67.784 8.066 -1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.618 8.533 0.661 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.509 4.348 2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.385 7.389 3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.852 4.093 4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.730 5.539 4.713 1.00 0.00 H new ATOM 945 N VAL A 62 -62.917 5.129 -0.932 1.00 0.00 N ATOM 946 CA VAL A 62 -61.841 4.542 -1.712 1.00 0.00 C ATOM 947 C VAL A 62 -61.947 3.017 -1.654 1.00 0.00 C ATOM 948 O VAL A 62 -62.706 2.475 -0.852 1.00 0.00 O ATOM 949 CB VAL A 62 -60.491 5.067 -1.219 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.477 6.596 -1.181 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.143 4.481 0.151 1.00 0.00 C ATOM 0 H VAL A 62 -63.086 4.679 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 62 -61.925 4.833 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.727 4.743 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.506 6.942 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.659 6.987 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.256 6.950 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.179 4.870 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -60.911 4.760 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.091 3.395 0.079 1.00 0.00 H new ATOM 961 N ASP A 63 -61.175 2.369 -2.513 1.00 0.00 N ATOM 962 CA ASP A 63 -61.173 0.917 -2.570 1.00 0.00 C ATOM 963 C ASP A 63 -59.937 0.384 -1.843 1.00 0.00 C ATOM 964 O ASP A 63 -58.955 1.105 -1.671 1.00 0.00 O ATOM 965 CB ASP A 63 -61.121 0.422 -4.016 1.00 0.00 C ATOM 966 CG ASP A 63 -62.384 0.688 -4.837 1.00 0.00 C ATOM 967 OD1 ASP A 63 -62.977 1.769 -4.632 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.729 -0.196 -5.651 1.00 0.00 O ATOM 0 H ASP A 63 -60.546 2.823 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.089 0.560 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.275 0.894 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -60.929 -0.651 -4.010 1.00 0.00 H new ATOM 973 N LYS A 64 -60.025 -0.874 -1.435 1.00 0.00 N ATOM 974 CA LYS A 64 -58.926 -1.511 -0.731 1.00 0.00 C ATOM 975 C LYS A 64 -57.667 -1.449 -1.597 1.00 0.00 C ATOM 976 O LYS A 64 -56.552 -1.421 -1.077 1.00 0.00 O ATOM 977 CB LYS A 64 -59.312 -2.930 -0.307 1.00 0.00 C ATOM 978 CG LYS A 64 -60.487 -2.909 0.673 1.00 0.00 C ATOM 979 CD LYS A 64 -60.542 -4.201 1.491 1.00 0.00 C ATOM 980 CE LYS A 64 -60.350 -3.914 2.981 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.057 -4.926 3.799 1.00 0.00 N ATOM 0 H LYS A 64 -60.841 -1.469 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.704 -0.976 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.578 -3.517 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.456 -3.420 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.391 -2.054 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.420 -2.782 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.500 -4.696 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -59.768 -4.887 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.288 -3.919 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.727 -2.919 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -60.769 -4.832 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.084 -4.780 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -60.816 -5.878 3.458 1.00 0.00 H new ATOM 995 N ASN A 65 -57.886 -1.430 -2.904 1.00 0.00 N ATOM 996 CA ASN A 65 -56.782 -1.372 -3.847 1.00 0.00 C ATOM 997 C ASN A 65 -56.156 0.024 -3.807 1.00 0.00 C ATOM 998 O ASN A 65 -54.934 0.158 -3.760 1.00 0.00 O ATOM 999 CB ASN A 65 -57.265 -1.632 -5.275 1.00 0.00 C ATOM 1000 CG ASN A 65 -57.940 -3.001 -5.385 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -58.872 -3.321 -4.666 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -57.419 -3.787 -6.322 1.00 0.00 N ATOM 0 H ASN A 65 -58.812 -1.454 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.057 -2.136 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -57.966 -0.852 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -56.421 -1.582 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -57.800 -4.721 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -56.639 -3.456 -6.889 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.021 1.027 -3.826 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.567 2.407 -3.793 1.00 0.00 C ATOM 1011 C ARG A 66 -55.773 2.673 -2.513 1.00 0.00 C ATOM 1012 O ARG A 66 -54.951 3.587 -2.467 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.748 3.377 -3.863 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.053 3.765 -5.311 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.548 3.634 -5.611 1.00 0.00 C ATOM 1016 NE ARG A 66 -59.821 4.040 -7.007 1.00 0.00 N ATOM 1017 CZ ARG A 66 -59.782 5.306 -7.443 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -59.481 6.298 -6.594 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -60.045 5.581 -8.728 1.00 0.00 N ATOM 0 H ARG A 66 -58.034 0.912 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 66 -55.928 2.567 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.628 2.917 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.523 4.272 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.731 4.790 -5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -57.485 3.128 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -59.870 2.605 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -60.121 4.256 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 66 -60.054 3.310 -7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -59.282 6.089 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -59.451 7.262 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -60.275 4.826 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -60.015 6.545 -9.060 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.046 1.858 -1.504 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.367 1.995 -0.227 1.00 0.00 C ATOM 1035 C LEU A 67 -54.113 1.118 -0.225 1.00 0.00 C ATOM 1036 O LEU A 67 -53.871 0.372 -1.172 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.328 1.696 0.925 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.533 2.630 1.052 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.744 1.888 1.623 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.181 3.871 1.874 1.00 0.00 C ATOM 0 H LEU A 67 -56.728 1.101 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.038 3.023 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.694 0.676 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.767 1.730 1.859 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.806 2.972 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.587 2.575 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.010 1.063 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.499 1.498 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.055 4.518 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.867 3.569 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.370 4.412 1.387 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.349 1.236 0.851 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.126 0.464 0.989 1.00 0.00 C ATOM 1054 C ALA A 68 -52.284 -0.532 2.140 1.00 0.00 C ATOM 1055 O ALA A 68 -52.248 -0.148 3.308 1.00 0.00 O ATOM 1056 CB ALA A 68 -50.943 1.412 1.198 1.00 0.00 C ATOM 0 H ALA A 68 -53.553 1.855 1.636 1.00 0.00 H new ATOM 0 HA ALA A 68 -51.929 -0.107 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.026 0.832 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -50.856 2.079 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.104 2.001 2.101 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.457 -1.793 1.769 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.621 -2.847 2.756 1.00 0.00 C ATOM 1064 C LEU A 69 -51.419 -3.791 2.692 1.00 0.00 C ATOM 1065 O LEU A 69 -51.364 -4.674 1.837 1.00 0.00 O ATOM 1066 CB LEU A 69 -53.967 -3.551 2.569 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.178 -2.639 2.364 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.219 -3.305 1.462 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.774 -2.208 3.705 1.00 0.00 C ATOM 0 H LEU A 69 -52.487 -2.108 0.799 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.644 -2.427 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -53.890 -4.218 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.152 -4.176 3.442 1.00 0.00 H new ATOM 0 HG LEU A 69 -54.842 -1.735 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.070 -2.636 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -55.774 -3.519 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.556 -4.235 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.633 -1.561 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.091 -3.089 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.023 -1.666 4.280 1.00 0.00 H new ATOM 1464 N ARG A 94 -34.843 41.071 2.705 1.00 0.00 N ATOM 1465 CA ARG A 94 -35.024 42.512 2.666 1.00 0.00 C ATOM 1466 C ARG A 94 -33.715 43.200 2.275 1.00 0.00 C ATOM 1467 O ARG A 94 -32.652 42.582 2.303 1.00 0.00 O ATOM 1468 CB ARG A 94 -35.488 43.046 4.022 1.00 0.00 C ATOM 1469 CG ARG A 94 -34.433 42.793 5.101 1.00 0.00 C ATOM 1470 CD ARG A 94 -33.970 44.106 5.734 1.00 0.00 C ATOM 1471 NE ARG A 94 -33.104 43.828 6.902 1.00 0.00 N ATOM 1472 CZ ARG A 94 -33.556 43.385 8.083 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -34.866 43.168 8.261 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -32.697 43.159 9.087 1.00 0.00 N ATOM 0 HA ARG A 94 -35.790 42.730 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -35.688 44.115 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -36.425 42.566 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -34.844 42.139 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -33.579 42.274 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -33.425 44.701 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -34.834 44.694 6.043 1.00 0.00 H new ATOM 0 HE ARG A 94 -32.101 43.983 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -35.520 43.340 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -35.210 42.831 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -31.700 43.324 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -33.041 42.822 9.986 1.00 0.00 H new ATOM 1488 N LYS A 95 -33.835 44.471 1.919 1.00 0.00 N ATOM 1489 CA LYS A 95 -32.674 45.250 1.523 1.00 0.00 C ATOM 1490 C LYS A 95 -32.818 46.677 2.055 1.00 0.00 C ATOM 1491 O LYS A 95 -33.218 47.580 1.321 1.00 0.00 O ATOM 1492 CB LYS A 95 -32.471 45.176 0.008 1.00 0.00 C ATOM 1493 CG LYS A 95 -31.030 44.791 -0.333 1.00 0.00 C ATOM 1494 CD LYS A 95 -30.900 44.404 -1.808 1.00 0.00 C ATOM 1495 CE LYS A 95 -29.664 45.049 -2.437 1.00 0.00 C ATOM 1496 NZ LYS A 95 -28.765 44.013 -2.992 1.00 0.00 N ATOM 0 H LYS A 95 -34.718 44.980 1.897 1.00 0.00 H new ATOM 0 HA LYS A 95 -31.768 44.835 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -33.157 44.445 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -32.710 46.139 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -30.365 45.626 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -30.714 43.958 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -30.835 43.320 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -31.793 44.716 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -29.967 45.737 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -29.133 45.637 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -27.931 44.468 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -28.461 43.373 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -29.270 43.469 -3.721 1.00 0.00 H new ATOM 1510 N ILE A 96 -32.482 46.837 3.327 1.00 0.00 N ATOM 1511 CA ILE A 96 -32.569 48.139 3.966 1.00 0.00 C ATOM 1512 C ILE A 96 -31.592 49.101 3.287 1.00 0.00 C ATOM 1513 O ILE A 96 -30.762 48.683 2.481 1.00 0.00 O ATOM 1514 CB ILE A 96 -32.356 48.010 5.475 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -32.736 49.306 6.195 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -30.923 47.578 5.792 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -32.977 49.055 7.685 1.00 0.00 C ATOM 0 H ILE A 96 -32.149 46.086 3.932 1.00 0.00 H new ATOM 0 HA ILE A 96 -33.568 48.558 3.843 1.00 0.00 H new ATOM 0 HB ILE A 96 -33.018 47.228 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -31.942 50.042 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -33.634 49.727 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -30.799 47.494 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -30.723 46.612 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -30.225 48.319 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -33.245 49.992 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -33.788 48.337 7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -32.069 48.657 8.138 1.00 0.00 H new ATOM 1529 N THR A 97 -31.724 50.372 3.637 1.00 0.00 N ATOM 1530 CA THR A 97 -30.863 51.397 3.072 1.00 0.00 C ATOM 1531 C THR A 97 -30.730 52.575 4.039 1.00 0.00 C ATOM 1532 O THR A 97 -31.513 52.703 4.979 1.00 0.00 O ATOM 1533 CB THR A 97 -31.432 51.793 1.707 1.00 0.00 C ATOM 1534 OG1 THR A 97 -30.461 52.687 1.172 1.00 0.00 O ATOM 1535 CG2 THR A 97 -32.698 52.644 1.825 1.00 0.00 C ATOM 0 H THR A 97 -32.414 50.715 4.305 1.00 0.00 H new ATOM 0 HA THR A 97 -29.850 51.024 2.923 1.00 0.00 H new ATOM 0 HB THR A 97 -31.652 50.894 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 97 -30.750 52.992 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 97 -33.060 52.897 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 97 -33.465 52.083 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 97 -32.472 53.559 2.372 1.00 0.00 H new ATOM 1543 N ARG A 98 -29.733 53.407 3.775 1.00 0.00 N ATOM 1544 CA ARG A 98 -29.487 54.570 4.610 1.00 0.00 C ATOM 1545 C ARG A 98 -28.610 55.581 3.868 1.00 0.00 C ATOM 1546 O ARG A 98 -28.030 55.261 2.831 1.00 0.00 O ATOM 1547 CB ARG A 98 -28.802 54.173 5.919 1.00 0.00 C ATOM 1548 CG ARG A 98 -29.486 54.832 7.118 1.00 0.00 C ATOM 1549 CD ARG A 98 -29.555 53.871 8.306 1.00 0.00 C ATOM 1550 NE ARG A 98 -30.953 53.440 8.528 1.00 0.00 N ATOM 1551 CZ ARG A 98 -31.310 52.439 9.344 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -30.374 51.759 10.021 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -32.604 52.117 9.484 1.00 0.00 N ATOM 0 H ARG A 98 -29.086 53.298 2.994 1.00 0.00 H new ATOM 0 HA ARG A 98 -30.451 55.022 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -28.827 53.089 6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -27.753 54.466 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -28.940 55.731 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -30.492 55.145 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -28.923 53.003 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -29.170 54.358 9.201 1.00 0.00 H new ATOM 0 HE ARG A 98 -31.691 53.936 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -29.389 52.004 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -30.646 50.997 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -33.317 52.634 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -32.876 51.355 10.105 1.00 0.00 H new ATOM 1567 N ASN A 99 -28.541 56.779 4.428 1.00 0.00 N ATOM 1568 CA ASN A 99 -27.744 57.838 3.833 1.00 0.00 C ATOM 1569 C ASN A 99 -27.422 58.889 4.898 1.00 0.00 C ATOM 1570 O ASN A 99 -28.017 58.889 5.974 1.00 0.00 O ATOM 1571 CB ASN A 99 -28.505 58.531 2.701 1.00 0.00 C ATOM 1572 CG ASN A 99 -27.556 58.946 1.575 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -26.618 58.247 1.230 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -27.852 60.120 1.024 1.00 0.00 N ATOM 0 H ASN A 99 -29.024 57.040 5.288 1.00 0.00 H new ATOM 0 HA ASN A 99 -26.833 57.390 3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -29.269 57.861 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -29.020 59.410 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -27.278 60.486 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -28.653 60.654 1.361 1.00 0.00 H new ATOM 1581 N GLN A 100 -26.481 59.758 4.560 1.00 0.00 N ATOM 1582 CA GLN A 100 -26.072 60.811 5.474 1.00 0.00 C ATOM 1583 C GLN A 100 -25.444 61.972 4.700 1.00 0.00 C ATOM 1584 O GLN A 100 -25.207 61.865 3.498 1.00 0.00 O ATOM 1585 CB GLN A 100 -25.109 60.274 6.534 1.00 0.00 C ATOM 1586 CG GLN A 100 -25.796 60.168 7.897 1.00 0.00 C ATOM 1587 CD GLN A 100 -25.243 58.989 8.700 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -25.588 57.839 8.481 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -24.368 59.337 9.639 1.00 0.00 N ATOM 0 H GLN A 100 -25.990 59.755 3.666 1.00 0.00 H new ATOM 0 HA GLN A 100 -26.958 61.181 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -24.740 59.294 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -24.243 60.931 6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -25.650 61.093 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -26.870 60.046 7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -24.123 60.319 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -23.942 58.622 10.229 1.00 0.00 H new ATOM 1598 N LYS A 101 -25.193 63.055 5.421 1.00 0.00 N ATOM 1599 CA LYS A 101 -24.597 64.234 4.817 1.00 0.00 C ATOM 1600 C LYS A 101 -23.910 65.066 5.901 1.00 0.00 C ATOM 1601 O LYS A 101 -24.192 64.901 7.087 1.00 0.00 O ATOM 1602 CB LYS A 101 -25.643 65.013 4.016 1.00 0.00 C ATOM 1603 CG LYS A 101 -25.066 65.496 2.684 1.00 0.00 C ATOM 1604 CD LYS A 101 -25.132 67.021 2.578 1.00 0.00 C ATOM 1605 CE LYS A 101 -24.431 67.514 1.311 1.00 0.00 C ATOM 1606 NZ LYS A 101 -23.749 68.803 1.564 1.00 0.00 N ATOM 0 H LYS A 101 -25.392 63.140 6.418 1.00 0.00 H new ATOM 0 HA LYS A 101 -23.828 63.946 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -26.511 64.380 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -25.989 65.867 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -24.031 65.166 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -25.619 65.046 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -26.173 67.344 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -24.665 67.470 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.706 66.772 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.159 67.632 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -23.278 69.123 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.448 69.513 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.041 68.679 2.315 1.00 0.00 H new ATOM 1620 N ARG A 102 -23.020 65.941 5.456 1.00 0.00 N ATOM 1621 CA ARG A 102 -22.290 66.799 6.375 1.00 0.00 C ATOM 1622 C ARG A 102 -21.974 68.140 5.710 1.00 0.00 C ATOM 1623 O ARG A 102 -21.782 68.206 4.497 1.00 0.00 O ATOM 1624 CB ARG A 102 -20.984 66.140 6.823 1.00 0.00 C ATOM 1625 CG ARG A 102 -20.764 66.326 8.326 1.00 0.00 C ATOM 1626 CD ARG A 102 -19.273 66.311 8.668 1.00 0.00 C ATOM 1627 NE ARG A 102 -19.088 66.040 10.111 1.00 0.00 N ATOM 1628 CZ ARG A 102 -17.893 65.939 10.709 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -16.770 66.087 9.992 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -17.820 65.691 12.024 1.00 0.00 N ATOM 0 H ARG A 102 -22.788 66.075 4.472 1.00 0.00 H new ATOM 0 HA ARG A 102 -22.920 66.962 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -21.008 65.077 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -20.147 66.571 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.205 67.269 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.274 65.533 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -18.764 65.549 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -18.822 67.269 8.409 1.00 0.00 H new ATOM 0 HE ARG A 102 -19.922 65.923 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.825 66.277 8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.860 66.010 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.674 65.579 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.910 65.614 12.479 1.00 0.00 H new ATOM 1644 N LYS A 103 -21.930 69.176 6.535 1.00 0.00 N ATOM 1645 CA LYS A 103 -21.640 70.513 6.042 1.00 0.00 C ATOM 1646 C LYS A 103 -21.151 71.384 7.201 1.00 0.00 C ATOM 1647 O LYS A 103 -21.386 71.063 8.365 1.00 0.00 O ATOM 1648 CB LYS A 103 -22.854 71.088 5.310 1.00 0.00 C ATOM 1649 CG LYS A 103 -23.985 71.406 6.291 1.00 0.00 C ATOM 1650 CD LYS A 103 -24.253 72.912 6.350 1.00 0.00 C ATOM 1651 CE LYS A 103 -25.064 73.276 7.595 1.00 0.00 C ATOM 1652 NZ LYS A 103 -24.633 74.587 8.129 1.00 0.00 N ATOM 0 H LYS A 103 -22.090 69.117 7.541 1.00 0.00 H new ATOM 0 HA LYS A 103 -20.837 70.482 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -22.566 71.993 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -23.205 70.375 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -24.892 70.883 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -23.723 71.040 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -23.307 73.453 6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -24.793 73.224 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -26.125 73.308 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -24.937 72.507 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -25.193 74.819 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -23.625 74.544 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -24.777 75.321 7.406 1.00 0.00 H new ATOM 1666 N HIS A 104 -20.479 72.467 6.842 1.00 0.00 N ATOM 1667 CA HIS A 104 -19.954 73.387 7.837 1.00 0.00 C ATOM 1668 C HIS A 104 -19.312 74.587 7.139 1.00 0.00 C ATOM 1669 O HIS A 104 -18.957 74.510 5.964 1.00 0.00 O ATOM 1670 CB HIS A 104 -18.993 72.669 8.787 1.00 0.00 C ATOM 1671 CG HIS A 104 -19.267 72.926 10.249 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -20.394 72.450 10.896 1.00 0.00 N ATOM 1673 CD2 HIS A 104 -18.550 73.614 11.183 1.00 0.00 C ATOM 1674 CE1 HIS A 104 -20.347 72.840 12.161 1.00 0.00 C ATOM 1675 NE2 HIS A 104 -19.204 73.562 12.337 1.00 0.00 N ATOM 0 H HIS A 104 -20.286 72.729 5.875 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.769 73.764 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.048 71.596 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.973 72.980 8.559 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -21.135 71.893 10.471 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -17.609 74.116 11.013 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -21.085 72.624 12.920 1.00 0.00 H new ATOM 1683 N ASP A 105 -19.182 75.669 7.892 1.00 0.00 N ATOM 1684 CA ASP A 105 -18.589 76.884 7.360 1.00 0.00 C ATOM 1685 C ASP A 105 -18.726 78.007 8.391 1.00 0.00 C ATOM 1686 O ASP A 105 -19.755 78.124 9.053 1.00 0.00 O ATOM 1687 CB ASP A 105 -19.298 77.329 6.080 1.00 0.00 C ATOM 1688 CG ASP A 105 -18.400 77.431 4.845 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -17.192 77.150 4.998 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -18.943 77.787 3.777 1.00 0.00 O ATOM 0 H ASP A 105 -19.477 75.730 8.866 1.00 0.00 H new ATOM 0 HA ASP A 105 -17.542 76.679 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -20.105 76.628 5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -19.759 78.301 6.257 1.00 0.00 H new ATOM 1695 N GLU A 106 -17.672 78.804 8.494 1.00 0.00 N ATOM 1696 CA GLU A 106 -17.662 79.913 9.433 1.00 0.00 C ATOM 1697 C GLU A 106 -16.718 81.014 8.944 1.00 0.00 C ATOM 1698 O GLU A 106 -15.572 80.742 8.592 1.00 0.00 O ATOM 1699 CB GLU A 106 -17.273 79.441 10.835 1.00 0.00 C ATOM 1700 CG GLU A 106 -17.550 80.527 11.876 1.00 0.00 C ATOM 1701 CD GLU A 106 -17.888 79.911 13.235 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -17.366 78.807 13.503 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -18.660 80.558 13.975 1.00 0.00 O ATOM 0 H GLU A 106 -16.820 78.704 7.943 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.670 80.324 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -17.832 78.540 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -16.216 79.176 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -16.678 81.174 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -18.376 81.154 11.541 1.00 0.00 H new ATOM 1710 N ILE A 107 -17.237 82.233 8.937 1.00 0.00 N ATOM 1711 CA ILE A 107 -16.455 83.376 8.497 1.00 0.00 C ATOM 1712 C ILE A 107 -15.525 83.819 9.628 1.00 0.00 C ATOM 1713 O ILE A 107 -15.659 83.360 10.761 1.00 0.00 O ATOM 1714 CB ILE A 107 -17.373 84.488 7.984 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -17.712 85.477 9.101 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -18.629 83.905 7.333 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -18.378 84.765 10.280 1.00 0.00 C ATOM 0 H ILE A 107 -18.189 82.454 9.229 1.00 0.00 H new ATOM 0 HA ILE A 107 -15.822 83.102 7.653 1.00 0.00 H new ATOM 0 HB ILE A 107 -16.840 85.044 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -16.803 85.975 9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -18.376 86.251 8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -19.264 84.716 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -18.343 83.272 6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -19.176 83.311 8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -18.609 85.491 11.060 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -19.299 84.288 9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -17.702 84.008 10.677 1.00 0.00 H new ATOM 1729 N ASN A 108 -14.604 84.705 9.281 1.00 0.00 N ATOM 1730 CA ASN A 108 -13.652 85.215 10.253 1.00 0.00 C ATOM 1731 C ASN A 108 -12.744 86.247 9.580 1.00 0.00 C ATOM 1732 O ASN A 108 -12.472 86.152 8.384 1.00 0.00 O ATOM 1733 CB ASN A 108 -12.768 84.092 10.799 1.00 0.00 C ATOM 1734 CG ASN A 108 -11.999 83.402 9.671 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -12.520 83.140 8.599 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -10.734 83.121 9.971 1.00 0.00 N ATOM 0 H ASN A 108 -14.496 85.083 8.340 1.00 0.00 H new ATOM 0 HA ASN A 108 -14.214 85.663 11.072 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.066 84.498 11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.384 83.362 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.138 82.659 9.285 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.360 83.368 10.887 1.00 0.00 H new ATOM 1743 N HIS A 109 -12.302 87.208 10.377 1.00 0.00 N ATOM 1744 CA HIS A 109 -11.430 88.256 9.872 1.00 0.00 C ATOM 1745 C HIS A 109 -10.279 88.482 10.854 1.00 0.00 C ATOM 1746 O HIS A 109 -10.361 88.086 12.015 1.00 0.00 O ATOM 1747 CB HIS A 109 -12.225 89.532 9.587 1.00 0.00 C ATOM 1748 CG HIS A 109 -11.391 90.664 9.034 1.00 0.00 C ATOM 1749 ND1 HIS A 109 -10.494 91.490 9.645 1.00 0.00 N flip ATOM 1750 CD2 HIS A 109 -11.434 91.047 7.705 1.00 0.00 C flip ATOM 1751 CE1 HIS A 109 -10.014 92.332 8.738 1.00 0.00 C flip ATOM 1752 NE2 HIS A 109 -10.596 92.059 7.535 1.00 0.00 N flip ATOM 0 H HIS A 109 -12.531 87.284 11.368 1.00 0.00 H new ATOM 0 HA HIS A 109 -10.996 87.947 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -13.021 89.301 8.879 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.704 89.863 10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.046 90.598 6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.283 93.106 8.922 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -10.417 92.548 6.658 1.00 0.00 H new ATOM 1760 N VAL A 110 -9.231 89.117 10.350 1.00 0.00 N ATOM 1761 CA VAL A 110 -8.063 89.401 11.167 1.00 0.00 C ATOM 1762 C VAL A 110 -8.457 90.352 12.299 1.00 0.00 C ATOM 1763 O VAL A 110 -9.550 90.245 12.853 1.00 0.00 O ATOM 1764 CB VAL A 110 -6.933 89.947 10.293 1.00 0.00 C ATOM 1765 CG1 VAL A 110 -7.178 91.414 9.933 1.00 0.00 C ATOM 1766 CG2 VAL A 110 -5.576 89.770 10.978 1.00 0.00 C ATOM 0 H VAL A 110 -9.166 89.443 9.386 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.687 88.487 11.627 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.919 89.373 9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.360 91.778 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.117 91.503 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.232 92.008 10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.790 90.166 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.575 90.307 11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.396 88.711 11.160 1.00 0.00 H new ATOM 1776 N GLN A 111 -7.545 91.261 12.609 1.00 0.00 N ATOM 1777 CA GLN A 111 -7.784 92.231 13.665 1.00 0.00 C ATOM 1778 C GLN A 111 -8.620 93.398 13.135 1.00 0.00 C ATOM 1779 O GLN A 111 -9.216 93.302 12.064 1.00 0.00 O ATOM 1780 CB GLN A 111 -6.465 92.728 14.261 1.00 0.00 C ATOM 1781 CG GLN A 111 -5.685 93.564 13.245 1.00 0.00 C ATOM 1782 CD GLN A 111 -4.230 93.099 13.155 1.00 0.00 C ATOM 1783 OE1 GLN A 111 -3.712 92.799 12.091 1.00 0.00 O ATOM 1784 NE2 GLN A 111 -3.601 93.056 14.326 1.00 0.00 N ATOM 0 H GLN A 111 -6.639 91.347 12.148 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.344 91.741 14.462 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.666 93.325 15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.861 91.877 14.577 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.157 93.486 12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -5.718 94.615 13.532 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -4.093 93.321 15.179 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.626 92.759 14.371 1.00 0.00 H new ATOM 1793 N LYS A 112 -8.637 94.472 13.910 1.00 0.00 N ATOM 1794 CA LYS A 112 -9.390 95.656 13.533 1.00 0.00 C ATOM 1795 C LYS A 112 -9.299 96.692 14.654 1.00 0.00 C ATOM 1796 O LYS A 112 -10.300 97.008 15.295 1.00 0.00 O ATOM 1797 CB LYS A 112 -10.825 95.280 13.157 1.00 0.00 C ATOM 1798 CG LYS A 112 -11.200 95.851 11.788 1.00 0.00 C ATOM 1799 CD LYS A 112 -11.619 97.318 11.901 1.00 0.00 C ATOM 1800 CE LYS A 112 -10.425 98.248 11.682 1.00 0.00 C ATOM 1801 NZ LYS A 112 -10.025 98.251 10.257 1.00 0.00 N ATOM 0 H LYS A 112 -8.141 94.547 14.798 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.960 96.113 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.929 94.195 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.514 95.657 13.913 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.352 95.763 11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.015 95.269 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.394 97.536 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.052 97.501 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.682 99.260 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.587 97.926 12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.495 99.121 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.425 97.424 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.874 98.210 9.658 1.00 0.00 H new ATOM 1829 N TYR A 114 -7.173 100.497 15.976 1.00 0.00 N ATOM 1830 CA TYR A 114 -6.446 101.684 15.559 1.00 0.00 C ATOM 1831 C TYR A 114 -6.720 102.856 16.505 1.00 0.00 C ATOM 1832 O TYR A 114 -7.838 103.016 16.992 1.00 0.00 O ATOM 1833 CB TYR A 114 -6.973 102.035 14.166 1.00 0.00 C ATOM 1834 CG TYR A 114 -6.205 103.163 13.476 1.00 0.00 C ATOM 1835 CD1 TYR A 114 -6.288 104.452 13.961 1.00 0.00 C ATOM 1836 CD2 TYR A 114 -5.428 102.892 12.367 1.00 0.00 C ATOM 1837 CE1 TYR A 114 -5.565 105.514 13.311 1.00 0.00 C ATOM 1838 CE2 TYR A 114 -4.705 103.954 11.717 1.00 0.00 C ATOM 1839 CZ TYR A 114 -4.809 105.213 12.221 1.00 0.00 C ATOM 1840 OH TYR A 114 -4.126 106.216 11.607 1.00 0.00 O ATOM 0 HA TYR A 114 -5.372 101.497 15.565 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.932 101.145 13.538 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.022 102.320 14.247 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.895 104.664 14.828 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.363 101.883 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.622 106.527 13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.094 103.755 10.849 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.629 105.854 10.844 1.00 0.00 H new ATOM 1850 N ALA A 115 -5.680 103.644 16.736 1.00 0.00 N ATOM 1851 CA ALA A 115 -5.795 104.796 17.614 1.00 0.00 C ATOM 1852 C ALA A 115 -4.804 105.872 17.168 1.00 0.00 C ATOM 1853 O ALA A 115 -4.133 105.720 16.149 1.00 0.00 O ATOM 1854 CB ALA A 115 -5.568 104.358 19.062 1.00 0.00 C ATOM 0 H ALA A 115 -4.754 103.507 16.330 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.795 105.225 17.556 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.654 105.222 19.721 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.315 103.614 19.339 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.572 103.925 19.159 1.00 0.00 H new ATOM 1860 N GLU A 116 -4.743 106.937 17.954 1.00 0.00 N ATOM 1861 CA GLU A 116 -3.845 108.039 17.653 1.00 0.00 C ATOM 1862 C GLU A 116 -2.734 108.121 18.703 1.00 0.00 C ATOM 1863 O GLU A 116 -2.985 107.934 19.893 1.00 0.00 O ATOM 1864 CB GLU A 116 -4.610 109.361 17.561 1.00 0.00 C ATOM 1865 CG GLU A 116 -5.200 109.749 18.918 1.00 0.00 C ATOM 1866 CD GLU A 116 -6.656 110.196 18.775 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -6.861 111.287 18.200 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -7.532 109.437 19.243 1.00 0.00 O ATOM 0 H GLU A 116 -5.301 107.060 18.799 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.387 107.853 16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -3.942 110.148 17.213 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.409 109.272 16.825 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.142 108.901 19.600 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.611 110.553 19.358 1.00 0.00 H new ATOM 1875 N MET A 117 -1.531 108.400 18.225 1.00 0.00 N ATOM 1876 CA MET A 117 -0.381 108.508 19.107 1.00 0.00 C ATOM 1877 C MET A 117 0.001 109.973 19.332 1.00 0.00 C ATOM 1878 O MET A 117 0.177 110.726 18.375 1.00 0.00 O ATOM 1879 CB MET A 117 0.804 107.759 18.496 1.00 0.00 C ATOM 1880 CG MET A 117 0.588 106.246 18.558 1.00 0.00 C ATOM 1881 SD MET A 117 -0.201 105.679 17.061 1.00 0.00 S ATOM 1882 CE MET A 117 -1.648 104.895 17.751 1.00 0.00 C ATOM 0 H MET A 117 -1.327 108.555 17.238 1.00 0.00 H new ATOM 0 HA MET A 117 -0.642 108.068 20.069 1.00 0.00 H new ATOM 0 HB2 MET A 117 0.939 108.068 17.460 1.00 0.00 H new ATOM 0 HB3 MET A 117 1.718 108.021 19.028 1.00 0.00 H new ATOM 0 HG2 MET A 117 1.544 105.739 18.689 1.00 0.00 H new ATOM 0 HG3 MET A 117 -0.028 105.994 19.421 1.00 0.00 H new ATOM 0 HE1 MET A 117 -2.230 104.437 16.951 1.00 0.00 H new ATOM 0 HE2 MET A 117 -1.342 104.128 18.462 1.00 0.00 H new ATOM 0 HE3 MET A 117 -2.257 105.641 18.262 1.00 0.00 H new ATOM 1892 N ASP A 118 0.117 110.332 20.602 1.00 0.00 N ATOM 1893 CA ASP A 118 0.475 111.693 20.964 1.00 0.00 C ATOM 1894 C ASP A 118 0.441 111.836 22.487 1.00 0.00 C ATOM 1895 O ASP A 118 -0.607 111.662 23.108 1.00 0.00 O ATOM 1896 CB ASP A 118 -0.515 112.699 20.373 1.00 0.00 C ATOM 1897 CG ASP A 118 -1.978 112.253 20.389 1.00 0.00 C ATOM 1898 OD1 ASP A 118 -2.456 111.916 21.493 1.00 0.00 O ATOM 1899 OD2 ASP A 118 -2.585 112.259 19.296 1.00 0.00 O ATOM 0 H ASP A 118 -0.030 109.705 21.393 1.00 0.00 H new ATOM 0 HA ASP A 118 1.472 111.895 20.572 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.430 113.636 20.924 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.226 112.908 19.343 1.00 0.00 H new ATOM 1904 N PRO A 119 1.630 112.161 23.061 1.00 0.00 N ATOM 1905 CA PRO A 119 1.746 112.329 24.499 1.00 0.00 C ATOM 1906 C PRO A 119 1.129 113.655 24.948 1.00 0.00 C ATOM 1907 O PRO A 119 0.199 113.671 25.752 1.00 0.00 O ATOM 1908 CB PRO A 119 3.236 112.240 24.787 1.00 0.00 C ATOM 1909 CG PRO A 119 3.933 112.491 23.459 1.00 0.00 C ATOM 1910 CD PRO A 119 2.892 112.375 22.358 1.00 0.00 C ATOM 0 HA PRO A 119 1.200 111.568 25.056 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.535 112.979 25.531 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.499 111.261 25.187 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.391 113.480 23.449 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.734 111.768 23.305 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.858 113.278 21.749 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.117 111.546 21.687 1.00 0.00 H new ATOM 1918 N THR A 120 1.672 114.737 24.407 1.00 0.00 N ATOM 1919 CA THR A 120 1.186 116.065 24.742 1.00 0.00 C ATOM 1920 C THR A 120 1.729 117.096 23.751 1.00 0.00 C ATOM 1921 O THR A 120 2.566 116.773 22.909 1.00 0.00 O ATOM 1922 CB THR A 120 1.569 116.356 26.194 1.00 0.00 C ATOM 1923 OG1 THR A 120 0.901 117.580 26.490 1.00 0.00 O ATOM 1924 CG2 THR A 120 3.053 116.694 26.351 1.00 0.00 C ATOM 0 H THR A 120 2.443 114.721 23.740 1.00 0.00 H new ATOM 0 HA THR A 120 0.101 116.122 24.660 1.00 0.00 H new ATOM 0 HB THR A 120 1.326 115.493 26.814 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.093 117.842 27.414 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.272 116.892 27.400 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.656 115.854 26.007 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.290 117.577 25.758 1.00 0.00 H new ATOM 1932 N THR A 121 1.231 118.317 23.884 1.00 0.00 N ATOM 1933 CA THR A 121 1.656 119.398 23.011 1.00 0.00 C ATOM 1934 C THR A 121 1.612 120.733 23.756 1.00 0.00 C ATOM 1935 O THR A 121 0.781 120.926 24.643 1.00 0.00 O ATOM 1936 CB THR A 121 0.775 119.370 21.761 1.00 0.00 C ATOM 1937 OG1 THR A 121 1.270 120.441 20.963 1.00 0.00 O ATOM 1938 CG2 THR A 121 -0.674 119.763 22.056 1.00 0.00 C ATOM 0 H THR A 121 0.537 118.581 24.583 1.00 0.00 H new ATOM 0 HA THR A 121 2.692 119.270 22.698 1.00 0.00 H new ATOM 0 HB THR A 121 0.798 118.372 21.324 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.755 120.494 20.131 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.256 119.727 21.135 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.099 119.069 22.781 1.00 0.00 H new ATOM 0 HG23 THR A 121 -0.701 120.774 22.463 1.00 0.00 H new ATOM 1946 N ALA A 122 2.516 121.621 23.368 1.00 0.00 N ATOM 1947 CA ALA A 122 2.590 122.933 23.988 1.00 0.00 C ATOM 1948 C ALA A 122 3.545 123.818 23.184 1.00 0.00 C ATOM 1949 O ALA A 122 4.072 123.396 22.156 1.00 0.00 O ATOM 1950 CB ALA A 122 3.022 122.784 25.448 1.00 0.00 C ATOM 0 H ALA A 122 3.203 121.458 22.632 1.00 0.00 H new ATOM 0 HA ALA A 122 1.612 123.415 23.985 1.00 0.00 H new ATOM 0 HB1 ALA A 122 3.078 123.768 25.913 1.00 0.00 H new ATOM 0 HB2 ALA A 122 2.296 122.171 25.982 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.001 122.307 25.491 1.00 0.00 H new ATOM 1956 N ALA A 123 3.740 125.030 23.684 1.00 0.00 N ATOM 1957 CA ALA A 123 4.622 125.978 23.026 1.00 0.00 C ATOM 1958 C ALA A 123 5.222 126.921 24.072 1.00 0.00 C ATOM 1959 O ALA A 123 5.051 126.712 25.272 1.00 0.00 O ATOM 1960 CB ALA A 123 3.848 126.728 21.941 1.00 0.00 C ATOM 0 H ALA A 123 3.302 125.377 24.537 1.00 0.00 H new ATOM 0 HA ALA A 123 5.447 125.459 22.538 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.510 127.439 21.447 1.00 0.00 H new ATOM 0 HB2 ALA A 123 3.468 126.017 21.208 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.013 127.263 22.394 1.00 0.00 H new ATOM 1966 N LEU A 124 5.911 127.939 23.578 1.00 0.00 N ATOM 1967 CA LEU A 124 6.537 128.914 24.454 1.00 0.00 C ATOM 1968 C LEU A 124 6.999 130.115 23.626 1.00 0.00 C ATOM 1969 O LEU A 124 7.644 129.949 22.592 1.00 0.00 O ATOM 1970 CB LEU A 124 7.655 128.262 25.270 1.00 0.00 C ATOM 1971 CG LEU A 124 8.966 128.004 24.524 1.00 0.00 C ATOM 1972 CD1 LEU A 124 10.172 128.349 25.400 1.00 0.00 C ATOM 1973 CD2 LEU A 124 9.027 126.566 24.005 1.00 0.00 C ATOM 0 H LEU A 124 6.049 128.110 22.582 1.00 0.00 H new ATOM 0 HA LEU A 124 5.818 129.287 25.184 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.868 128.897 26.130 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.288 127.312 25.658 1.00 0.00 H new ATOM 0 HG LEU A 124 9.000 128.662 23.655 1.00 0.00 H new ATOM 0 HD11 LEU A 124 11.091 128.157 24.846 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.130 129.402 25.679 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.156 127.735 26.300 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.969 126.409 23.479 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.960 125.873 24.844 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.196 126.390 23.322 1.00 0.00 H new ATOM 1985 N GLU A 125 6.652 131.297 24.113 1.00 0.00 N ATOM 1986 CA GLU A 125 7.023 132.525 23.431 1.00 0.00 C ATOM 1987 C GLU A 125 7.335 133.625 24.448 1.00 0.00 C ATOM 1988 O GLU A 125 6.464 134.028 25.217 1.00 0.00 O ATOM 1989 CB GLU A 125 5.924 132.969 22.463 1.00 0.00 C ATOM 1990 CG GLU A 125 6.515 133.728 21.273 1.00 0.00 C ATOM 1991 CD GLU A 125 5.458 134.612 20.607 1.00 0.00 C ATOM 1992 OE1 GLU A 125 4.408 134.051 20.226 1.00 0.00 O ATOM 1993 OE2 GLU A 125 5.724 135.828 20.495 1.00 0.00 O ATOM 0 H GLU A 125 6.118 131.430 24.972 1.00 0.00 H new ATOM 0 HA GLU A 125 7.922 132.334 22.845 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.375 132.098 22.107 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.209 133.605 22.986 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.350 134.343 21.608 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.912 133.020 20.546 1.00 0.00 H new ATOM 2000 N LYS A 126 8.579 134.078 24.420 1.00 0.00 N ATOM 2001 CA LYS A 126 9.016 135.122 25.330 1.00 0.00 C ATOM 2002 C LYS A 126 9.306 136.397 24.536 1.00 0.00 C ATOM 2003 O LYS A 126 9.210 136.404 23.309 1.00 0.00 O ATOM 2004 CB LYS A 126 10.200 134.640 26.171 1.00 0.00 C ATOM 2005 CG LYS A 126 9.733 134.140 27.540 1.00 0.00 C ATOM 2006 CD LYS A 126 10.875 134.182 28.558 1.00 0.00 C ATOM 2007 CE LYS A 126 11.187 135.621 28.972 1.00 0.00 C ATOM 2008 NZ LYS A 126 11.730 135.658 30.348 1.00 0.00 N ATOM 0 H LYS A 126 9.299 133.741 23.781 1.00 0.00 H new ATOM 0 HA LYS A 126 8.225 135.361 26.041 1.00 0.00 H new ATOM 0 HB2 LYS A 126 10.722 133.840 25.646 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.913 135.454 26.301 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.904 134.754 27.892 1.00 0.00 H new ATOM 0 HG3 LYS A 126 9.358 133.120 27.450 1.00 0.00 H new ATOM 0 HD2 LYS A 126 10.605 133.597 29.437 1.00 0.00 H new ATOM 0 HD3 LYS A 126 11.766 133.722 28.130 1.00 0.00 H new ATOM 0 HE2 LYS A 126 11.906 136.057 28.279 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.282 136.226 28.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 11.936 136.642 30.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 11.031 135.261 31.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 12.605 135.097 30.391 1.00 0.00 H new ATOM 2022 N GLU A 127 9.655 137.446 25.267 1.00 0.00 N ATOM 2023 CA GLU A 127 9.959 138.723 24.646 1.00 0.00 C ATOM 2024 C GLU A 127 10.492 139.708 25.689 1.00 0.00 C ATOM 2025 O GLU A 127 9.793 140.046 26.643 1.00 0.00 O ATOM 2026 CB GLU A 127 8.731 139.292 23.932 1.00 0.00 C ATOM 2027 CG GLU A 127 9.131 140.015 22.644 1.00 0.00 C ATOM 2028 CD GLU A 127 8.419 139.409 21.432 1.00 0.00 C ATOM 2029 OE1 GLU A 127 7.171 139.367 21.469 1.00 0.00 O ATOM 2030 OE2 GLU A 127 9.141 139.001 20.497 1.00 0.00 O ATOM 0 H GLU A 127 9.734 137.437 26.284 1.00 0.00 H new ATOM 0 HA GLU A 127 10.734 138.564 23.896 1.00 0.00 H new ATOM 0 HB2 GLU A 127 8.035 138.486 23.700 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.209 139.983 24.594 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.883 141.073 22.725 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.210 139.950 22.506 1.00 0.00 H new ATOM 2037 N SER A 128 11.726 140.139 25.472 1.00 0.00 N ATOM 2038 CA SER A 128 12.360 141.078 26.382 1.00 0.00 C ATOM 2039 C SER A 128 12.788 142.335 25.622 1.00 0.00 C ATOM 2040 O SER A 128 12.810 142.345 24.392 1.00 0.00 O ATOM 2041 CB SER A 128 13.566 140.442 27.077 1.00 0.00 C ATOM 2042 OG SER A 128 14.467 139.849 26.146 1.00 0.00 O ATOM 0 H SER A 128 12.303 139.856 24.680 1.00 0.00 H new ATOM 0 HA SER A 128 11.636 141.353 27.149 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.092 141.200 27.657 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.221 139.684 27.781 1.00 0.00 H new ATOM 0 HG SER A 128 15.224 139.456 26.628 1.00 0.00 H new ATOM 2048 N GLY A 129 13.117 143.366 26.386 1.00 0.00 N ATOM 2049 CA GLY A 129 13.543 144.626 25.801 1.00 0.00 C ATOM 2050 C GLY A 129 14.066 145.581 26.875 1.00 0.00 C ATOM 2051 O GLY A 129 13.286 146.163 27.628 1.00 0.00 O ATOM 0 H GLY A 129 13.097 143.355 27.406 1.00 0.00 H new ATOM 0 HA2 GLY A 129 14.323 144.442 25.062 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.707 145.088 25.275 1.00 0.00 H new ATOM 2055 N PRO A 130 15.419 145.717 26.914 1.00 0.00 N ATOM 2056 CA PRO A 130 16.055 146.592 27.884 1.00 0.00 C ATOM 2057 C PRO A 130 15.884 148.062 27.493 1.00 0.00 C ATOM 2058 O PRO A 130 15.052 148.390 26.649 1.00 0.00 O ATOM 2059 CB PRO A 130 17.510 146.152 27.916 1.00 0.00 C ATOM 2060 CG PRO A 130 17.735 145.365 26.635 1.00 0.00 C ATOM 2061 CD PRO A 130 16.374 145.045 26.039 1.00 0.00 C ATOM 0 HA PRO A 130 15.607 146.516 28.875 1.00 0.00 H new ATOM 0 HB2 PRO A 130 18.177 147.012 27.968 1.00 0.00 H new ATOM 0 HB3 PRO A 130 17.713 145.537 28.793 1.00 0.00 H new ATOM 0 HG2 PRO A 130 18.333 145.944 25.931 1.00 0.00 H new ATOM 0 HG3 PRO A 130 18.286 144.448 26.842 1.00 0.00 H new ATOM 0 HD2 PRO A 130 16.295 145.408 25.014 1.00 0.00 H new ATOM 0 HD3 PRO A 130 16.197 143.970 26.011 1.00 0.00 H new ATOM 2069 N SER A 131 16.685 148.906 28.125 1.00 0.00 N ATOM 2070 CA SER A 131 16.633 150.333 27.854 1.00 0.00 C ATOM 2071 C SER A 131 17.901 151.012 28.375 1.00 0.00 C ATOM 2072 O SER A 131 18.721 150.378 29.038 1.00 0.00 O ATOM 2073 CB SER A 131 15.393 150.968 28.486 1.00 0.00 C ATOM 2074 OG SER A 131 15.445 150.940 29.910 1.00 0.00 O ATOM 0 H SER A 131 17.374 148.630 28.824 1.00 0.00 H new ATOM 0 HA SER A 131 16.571 150.474 26.775 1.00 0.00 H new ATOM 0 HB2 SER A 131 15.302 152.000 28.147 1.00 0.00 H new ATOM 0 HB3 SER A 131 14.502 150.440 28.145 1.00 0.00 H new ATOM 0 HG SER A 131 14.636 151.356 30.275 1.00 0.00 H new ATOM 2080 N SER A 132 18.022 152.292 28.056 1.00 0.00 N ATOM 2081 CA SER A 132 19.177 153.064 28.484 1.00 0.00 C ATOM 2082 C SER A 132 18.945 154.550 28.205 1.00 0.00 C ATOM 2083 O SER A 132 17.993 154.915 27.517 1.00 0.00 O ATOM 2084 CB SER A 132 20.450 152.584 27.783 1.00 0.00 C ATOM 2085 OG SER A 132 20.332 152.641 26.365 1.00 0.00 O ATOM 0 H SER A 132 17.340 152.814 27.506 1.00 0.00 H new ATOM 0 HA SER A 132 19.308 152.919 29.556 1.00 0.00 H new ATOM 0 HB2 SER A 132 21.293 153.198 28.102 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.668 151.560 28.088 1.00 0.00 H new ATOM 0 HG SER A 132 21.165 152.328 25.955 1.00 0.00 H new ATOM 2091 N GLY A 133 19.832 155.367 28.754 1.00 0.00 N ATOM 2092 CA GLY A 133 19.736 156.806 28.572 1.00 0.00 C ATOM 2093 C GLY A 133 19.996 157.543 29.888 1.00 0.00 C ATOM 2094 O GLY A 133 20.084 156.920 30.945 1.00 0.00 O ATOM 0 H GLY A 133 20.620 155.060 29.325 1.00 0.00 H new ATOM 0 HA2 GLY A 133 20.456 157.130 27.821 1.00 0.00 H new ATOM 0 HA3 GLY A 133 18.746 157.064 28.196 1.00 0.00 H new